Information card for entry 7040097

Structure parameters

• Formula: C24 H30.77 Cl2.23 O0.77 P Ru
• Calculated formula: C24 H30.772 Cl2.228 O0.772 P Ru
• Title of publication: Bis(allyl)-ruthenium(iv) complexes with phosphinous acid ligands as catalysts for nitrile hydration reactions.
• Authors of publication: Tomás-Mendivil, Eder; Francos, Javier; González-Fernández, Rebeca; González-Liste, Pedro J; Borge, Javier; Cadierno, Victorio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13590 - 13603
• a: 9.7474 ± 0.0002 Å
• b: 10.6446 ± 0.0003 Å
• c: 12.2667 ± 0.0004 Å
• α: 90.845 ± 0.002°
• β: 108.02 ± 0.002°
• γ: 97.486 ± 0.002°
• Cell volume: 1197.96 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No